N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine

C19H23NO2S — CID 144916353

IUPACN-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine
SMILESCc1cccc(C(NCC2CC2)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H23NO2S/c1-14-4-3-5-17(12-14)19(20-13-15-6-7-15)16-8-10-18(11-9-16)23(2,21)22/h3-5,8-12,15,19-20H,6-7,13H2,1-2H3
InChIKeyBOOXRBWXPWMSQR-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.49
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine

N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 144916353) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine
PubChem CID144916353
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine
SMILESCc1cccc(C(NCC2CC2)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H23NO2S/c1-14-4-3-5-17(12-14)19(20-13-15-6-7-15)16-8-10-18(11-9-16)23(2,21)22/h3-5,8-12,15,19-20H,6-7,13H2,1-2H3
InChIKeyBOOXRBWXPWMSQR-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine (CID 144916353) is N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine is Cc1cccc(C(NCC2CC2)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is BOOXRBWXPWMSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-4-3-5-17(12-14)19(20-13-15-6-7-15)16-8-10-18(11-9-16)23(2,21)22/h3-5,8-12,15,19-20H,6-7,13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine?
N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 329.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-methylphenyl)-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 144916353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).